5UNP
Structure of CDC2-Like Kinase 2 (CLK2) in Complex with Compound T-025 [N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine]
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | AREA DETECTOR |
Collection date | 2015-05-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.977 |
Spacegroup name | I 41 |
Unit cell lengths | 141.252, 141.252, 124.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.970 - 2.920 |
R-factor | 0.20229 |
Rwork | 0.201 |
R-free | 0.23385 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.177 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.920 |
Number of reflections | 26725 |
<I/σ(I)> | 23 |
Completeness [%] | 99.8 |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1M Hepes (pH 7.0), 0.2M KBr, 0.2M KSCN, 0.4-1.8% PGA (poly-gama-glutamic acid) and 1-4% PEG MME M.W. 2,000 |